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. Author manuscript; available in PMC: 2018 May 2.
Published in final edited form as: J Chem Theory Comput. 2017 Sep 1;13(9):4492–4503. doi: 10.1021/acs.jctc.7b00521

Figure 3.

Figure 3

Comparison of the interaction energy (ΔE) for 1,250 methanol clusters, including 999 clusters of 9 molecules, 157 clusters of 11 molecules, and 94 clusters of 13 molecules, computed from (a) MP2/6-31G(d,p) (b) DFMP2(fc)/jul-cc-pVDZ, and (c) DFMP2(fc)/jul-cc-pVTZ and the optimized force field model fitted without the offset parameter δ in Eq. (2). (d), (e) and (f) are the optimized force field model fitted with the offset parameter δ in Eq. (2).